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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL750
CHEMBL750
Compound Name ZONISAMIDE
ChEMBL Synonyms AD-810 | CI-912 | ZONISAMIDE | ZONEGRAN | PD-110843
Max Phase 4 (Approved)
Trade Names ZONEGRAN | ZONISAMIDE
Molecular Formula C8H8N2O3S

Additional synonyms for CHEMBL750 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=N)(=O)Cc1noc2ccccc12
Standard InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1- ...
Download InChI
Standard InChI Key UBQNRHZMVUUOMG-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL750

Molecule Features

CHEMBL750 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AlcoholismD000437EFO:0003829alcohol dependence3ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ATC
ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
Epilepsy, Complex PartialD017029EFO:1000877complex partial epilepsy3ClinicalTrials
Essential TremorD020329EFO:0003108essential tremor2ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence1ClinicalTrials
Feeding and Eating DisordersD001068EFO:0005203eating disorder3ClinicalTrials
Weight GainD015430EFO:0004566body weight gain3ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence1ClinicalTrials
SeizuresD012640HP:0001250Seizures3ClinicalTrials
Hearing Loss, Noise-InducedD006317EFO:1001254noise-induced hearing loss1ClinicalTrials

Clinical Data

ClinicalTrials.gov ZONISAMIDE
The Cochrane Collaboration ZONISAMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL750. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.652
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.335
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.200

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.751
CHEMBL244 Coagulation factor X Homo sapiens 0.455
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.333
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.276
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.246
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.240
CHEMBL204 Thrombin Homo sapiens 0.220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
212.2 212.0256 1.85 2 87.18 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .72 - 2 14 0.79

Structural Alerts

There are 2 structural alerts for CHEMBL750. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AX - Other antiepileptics
N03AX15 - zonisamide

ChemSpider ChemSpider:UBQNRHZMVUUOMG-UHFFFAOYSA-N
DailyMed zonisamide
PubChem SID: 144205122 SID: 49666067 SID: 90341782
Wikipedia Zonisamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL750



ACToR 68291-97-4
BindingDB 10888
Brenda 165533 1295
ChEBI 10127
DrugBank DB00909
DrugCentral 2872
eMolecules 902702
EPA CompTox Dashboard DTXSID9046023
FDA SRS 459384H98V
Guide to Pharmacology 7047
Human Metabolome Database HMDB0015045
IBM Patent System 54C9C444C78B8A99B966EFAB4AD19718
KEGG Ligand C07504
LINCS LSM-3062
Mcule MCULE-1873297847
MolPort MolPort-002-507-855
NIH Clinical Collection SAM002548957
Nikkaji J20.559A
PDBe ZON
PharmGKB PA451978
PubChem 11967800 5734
PubChem: Drugs of the Future 12012838
PubChem: Thomson Pharma 15220241
Selleck Zonisamide
SureChEMBL SCHEMBL35458
ZINC ZINC000000004321

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UBQNRHZMVUUOMG-UHFFFAOYSA-N spacer
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